Benzene, n-butyl-

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Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-3.06kcal/molN/AGood, 1975Value computed using ΔfHliquid° value of -62.9±1.2 kj/mol from Good, 1975 and ΔvapH° value of 50.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Δfgas-3.30 ± 0.31kcal/molCcbProsen, Johnson, et al., 1946Heat of combustion for gas phase =-1415.44 kcal/mol; ALS
Quantity Value Units Method Reference Comment
gas104.65cal/mol*KN/AMesserly J.F., 1965S(298.15 K) estimated by the method of increments [ Thermodynamics Research Center, 1997, Taylor W.J., 1946] is 1-2 J/mol*K larger than experimental one.; GT

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C6H7N+ + Benzene, n-butyl- = (C6H7N+ • Benzene, n-butyl-)

By formula: C6H7N+ + C10H14 = (C6H7N+ • C10H14)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3330.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated; M

2Hydrogen + Benzene, 1-butynyl- = Benzene, n-butyl-

By formula: 2H2 + C10H10 = C10H14

Quantity Value Units Method Reference Comment
Δr-62.70 ± 0.16kcal/molChydDavis, Allinger, et al., 1985liquid phase; solvent: Hexane; ALS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Quantity Value Units Method Reference Comment
IE (evaluated)8.69 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)189.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity182.6kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.68EIMcLoughlin, Morrison, et al., 1979LLK
8.71 ± 0.01EQLias and Ausloos, 1978LLK
8.69PIPrice, Bralsford, et al., 1959RDSH
8.69 ± 0.01PIWatanabe, 1957RDSH
8.69 ± 0.05PENagy-Felsobuki and Peel, 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+10.67 ± 0.35C3H7CADKatritzky, Watson, et al., 1990LL
C7H7+9.93C3H7EIMcLoughlin, Morrison, et al., 1979LLK
C7H8+9.78 ± 0.35C3H6CADKatritzky, Watson, et al., 1990LL
C7H8+10.3 ± 0.1C3H6EIBurgers, Terlouw, et al., 1982LBLHLM
C7H8+9.73 ± 0.04C3H6PIMcLoughlin, Morrison, et al., 1978LLK
C7H8+10.1 ± 0.1C3H6EILightner, Majeti, et al., 1972LLK
C8H9+9.98C2H5EIMcLoughlin, Morrison, et al., 1979LLK

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C6H7N+ + Benzene, n-butyl- = (C6H7N+ • Benzene, n-butyl-)

By formula: C6H7N+ + C10H14 = (C6H7N+ • C10H14)

Bond type: Charge transfer bond (positive ion)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molPHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr26.cal/mol*KN/AMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3330.PHPMSMeot-Ner (Mautner) and El-Shall, 1986gas phase; Entropy change calculated or estimated

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-1140.1058.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 μm, He
CapillaryDB-160.1039.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 μm, He
CapillaryCP Sil 280.1043.0Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryOV-101150.1062.9Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.1072.4Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryHP-160.1037.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.1037.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-101100.1046.Dimov and Mekenyan, 1989Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1047.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.1047.Engewald, Topalova, et al., 1987Column length: 50. m; Column diameter: 0.30 mm
CapillarySqualane100.1036.Nabivach and Vasiliev, 1987 
CapillaryOV-101145.1069.Grinberg, Tokarev, et al., 1984He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101145.1067.Grinberg, Tokarev, et al., 1984He; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-101100.1046.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1048.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1046.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101110.1049.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-10190.1043.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillarySE-3070.1039.6Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
CapillarySE-30130.1058.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.1041.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-101100.1048.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101120.1054.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101140.1060.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillarySqualane86.1032.3Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1034.9Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1048.1Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101120.1053.6Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101140.1060.0Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillarySE-3065.1037.4Kuchhal, Kumar, et al., 1980 
CapillarySqualane80.1029.4Kuchhal, Kumar, et al., 1980Column length: 45.7 m; Column diameter: 0.25 mm
PackedSqualane100.1027.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane86.1032.3Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1034.9Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.1037.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane80.1029.42Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-30110.1051.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30120.1056.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30130.1059.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
CapillarySE-30130.1057.Mitra, Mohan, et al., 1974, 2H2; Column length: 6.1 m; Column diameter: 3.18 mm
CapillarySE-30140.1060.Mitra, Mohan, et al., 1974, 2H2; Column length: 6.1 m; Column diameter: 3.18 mm
CapillarySE-30150.1062.Mitra, Mohan, et al., 1974, 2H2; Column length: 6.1 m; Column diameter: 3.18 mm
CapillarySE-30160.1063.Mitra, Mohan, et al., 1974, 2H2; Column length: 6.1 m; Column diameter: 3.18 mm
CapillarySE-30170.1066.Mitra, Mohan, et al., 1974, 2H2; Column length: 6.1 m; Column diameter: 3.18 mm
CapillarySqualane100.1032.Mitra, Mohan, et al., 1974, 2H2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySE-3065.1037.4Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane100.1035.8Svob and Deur-Siftar, 1974He; Column length: 10.5 m; Column diameter: 0.25 mm
CapillarySqualane115.1040.0Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
CapillarySqualane86.1033.0Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
PackedApiezon L100.1065.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedSqualane120.1033.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedSqualane140.1040.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedSqualane100.1035.2Evans and Smith, 1967H2/N2=3/1, Celite; Column length: 2. m
PackedMethyl Silicone130.1047.Antheaume and Guiochon, 1965 

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51068.Buchin, Salmon, et al., 200260. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryDB-11040.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-11042.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryOV-1011057.Ohnishi and Shibamoto, 19842. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C
CapillaryOV-1011040.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L1063.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-1001047.4Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillarySqualane1039.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified
CapillarySqualane1044.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M70.1309.1Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
PackedCarbowax 20M140.1356.4Vernon and Suratman, 1983He, A silanized white support; Column length: 2. m
PackedCarbowax 20M150.1362.1Vernon and Suratman, 1983He, A silanized white support; Column length: 2. m
PackedCarbowax 20M160.1367.7Vernon and Suratman, 1983He, A silanized white support; Column length: 2. m
CapillaryCarbowax 20M90.1284.0Kuchhal, Kumar, et al., 1980 
PackedCarbowax 20M115.1337.6Ellis and Still, 1979Chromosorb G
CapillaryCarbowax 20M100.1301.9Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 20M90.1284.0Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm
PackedPolyethylene Glycol 4000100.1328.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000120.1335.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 4000140.1343.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m
PackedPolyethylene Glycol 400080.1321.Bonastre and Grenier, 1967Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1306.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-5MS1058.Kallio, Jussila, et al., 200620. m/0.25 mm/0.25 μm, 60. C @ 4. min, 5. K/min, 240. C @ 15. min
CapillaryCP-Sil 8CB-MS1061.Elmore, Cooper, et al., 20050. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryDB-51053.7Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51053.3Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-51050.1Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51053.7Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51055.9Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-11036.4Sun and Stremple, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryHP-51054.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 180. C
CapillaryOV-1011042.0Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryDB-11030.Beens, Tijssen, et al., 199810. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 30. C; Tend: 225. C
CapillaryOV-11043.2Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-51050.1Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51053.7Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51055.9Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51053.7Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51053.3Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C
CapillaryDB-11054.Yu, Lin, et al., 199460. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
CapillaryDB-11047.Peng, Hua, et al., 199230. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; Tend: 280. C
CapillaryPetrocol DH1041.77White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1042.19White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1042.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-21066.4Akporhonor, le Vent, et al., 199025. m/0.2 mm/0.33 μm, N2, 15. K/min; Tstart: 60.01 C
CapillaryUltra-21056.4Akporhonor, le Vent, et al., 199025. m/0.2 mm/0.33 μm, N2, 2. K/min; Tstart: 60.01 C
CapillaryUltra-21062.2Akporhonor, le Vent, et al., 199025. m/0.2 mm/0.33 μm, N2, 7. K/min; Tstart: 60.01 C
CapillaryUltra-21078.Akporhonor, le Vent, et al., 199025. m/0.2 mm/0.33 μm, N2, 15. K/min; Tstart: 120.01 C
CapillaryUltra-21071.8Akporhonor, le Vent, et al., 199025. m/0.2 mm/0.33 μm, N2, 2. K/min; Tstart: 120.01 C
CapillaryUltra-21074.5Akporhonor, le Vent, et al., 199025. m/0.2 mm/0.33 μm, N2, 7. K/min; Tstart: 120.01 C
CapillaryDB-51051.Morinaga, Hara, et al., 199015. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C
CapillaryUltra-11037.42Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11040.68Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11043.02Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21054.18Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21057.89Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21060.55Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-1011040.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCP Sil 8 CB1061.Oruna-Concha, Bakker, et al., 200260. m/0.25 mm/0.25 μm, He; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
CapillaryDB-11024.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
CapillaryMethyl Silicone1066.87Hassoun, Pilling, et al., 199950. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
CapillaryDB-11044.Mattinen, Tuominen, et al., 199530. m/0.32 mm/1. μm, He; Program: 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min)
PackedSE-301058.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySupelcowax-101322.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryDB-Wax1324.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryHP-Wax1325.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryDB-Wax1304.Shimoda, Shigematsu, et al., 199560. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C
CapillaryDB-Wax1308.Chung, Eiserich, et al., 1994He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-Wax1306.Peng, Hua, et al., 199230. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min
CapillaryCarbowax 20M1280.Suárez and Duque, 19912. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C
CapillaryCarbowax 20M1284.Suárez and Duque, 19912. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane105.1049.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane75.1040.Tello, Lebron-Aguilar, et al., 2009 
CapillaryPolydimethyl siloxane90.1044.Tello, Lebron-Aguilar, et al., 2009 
CapillaryMethyl Silicone100.1048.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.1054.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone140.1060.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone80.1042.Lebrón-Aguilar, Quintanilla-López, et al., 2007 
CapillaryMethyl Silicone120.1054.Chen and Feng, 2006 
CapillaryOV-101100.1046.Gerasimenko and Nabivach, 199550. m/0.30 mm/0.26 μm, Nitrogen
CapillaryOV-101100.1047.Gerasimenko and Nabivach, 199550. m/0.30 mm/0.26 μm, Nitrogen
CapillaryOV-101100.1047.Gerasimenko and Nabivach, 199550. m/0.30 mm/0.26 μm, Nitrogen
CapillaryOV-101100.1047.Gerasimenko and Nabivach, 199550. m/0.30 mm/0.26 μm, Nitrogen
CapillaryOV-101100.1048.Gerasimenko and Nabivach, 199550. m/0.30 mm/0.26 μm, Nitrogen
CapillarySqualane95.41026.Sojak and Vigdergauz, 1978H2
CapillarySqualane110.1038.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane130.1045.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
PackedPolydimethyl siloxane110.1052.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB1051.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS1053.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryPetrocol DH1047.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryDB-11046.Zenkevich, Ukolov, et al., 201130. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C
Capillary5 % Phenyl methyl siloxane1058.Hussam, Alauddin, et al., 200215. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 2. min; Tstart: 40. C
CapillaryBP-11052.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryDB-5MS1046.3Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C
CapillaryOV-11045.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryHP-51062.9Wang and Fingas, 199530. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryUltra-21069.King, Hamilton, et al., 199350. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min
CapillaryDB-11045.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1039.Hartgers, Damste, et al., 199225. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
CapillaryDB-51068.Macku and Shibamoto, 1991He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryDB-51067.Macku and Shibamoto, 1991, 2He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryOV-1011045.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-1011041.Stern, Flath, et al., 198550. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1054.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1058.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1064.Robinson, Adams, et al., 2012Program: not specified
CapillaryMethyl Silicone1055.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryPolymethylsiloxane, (PMS-20000)1040.Cornwell and Cordano, 2003Program: not specified
CapillaryDB-5 MS1022.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryOV-1011048.Zhu and Wang, 2001Program: not specified
CapillaryMethyl Silicone1048.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone1046.Zenkevich, 1999Program: not specified
CapillaryMethyl Silicone1047.Zenkevich and Tsibulskaya, 1997Program: not specified
CapillaryDB-11058.Peng, 199630. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
CapillarySE-301040.Xiuhua, Zhang, et al., 1996Program: not specified
CapillarySE-301048.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryPolydimethyl siloxanes1047.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-11041.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryOV-1011046.Dimov, Osman, et al., 1994Program: not specified
CapillaryOV-1011048.Matisová, Juranyiová, et al., 199152. m/0.25 mm/0.38 μm, H2; Program: 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C
CapillarySqualane1036.2Dimov and Mekenyan, 1989Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1040.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1041.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryMethyl Silicone1047.Bonchev, Mekenjan, et al., 1979Program: not specified
PackedSqualane1033.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M100.1320.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M100.1321.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M120.1332.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M140.1348.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M160.1359.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M80.1310.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryCarbowax 20M90.1284.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax1269.Puvipirom and Chaisei, 201215. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C
CapillaryDB-Wax1301.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax1323.Chung, Eiserich, et al., 199360. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C
CapillaryCarbowax 20M1271.Herain, MRAVEC, et al., 199170. C @ 21. min, 5. K/min, 150. C @ 999. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1310.Gyawali and Kim, 201260. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
CapillaryDB-Wax1312.Gyawali and Kim, 200960. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min)
CapillarySupelcowax-101319.Vichi, Guadayol, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)
CapillaryDB-Wax1310.Gyawalia, Seo, et al., 200660. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C
CapillarySupelcowax-101297.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryDB-Wax1310.Kim. J.H., Ahn, et al., 200460. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
CapillaryCarbowax 20M1309.Cornwell and Cordano, 2003Program: not specified
CapillaryCarbowax 20M1284.Ivanciuc, Ivanciuc, et al., 2001Program: not specified
CapillaryFFAP1338.Lopez, Lavilla, et al., 200050. m/0.2 mm/0.33 μm, N2; Program: 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min)
CapillaryFFAP1338.López, Lavilla, et al., 199850. m/0.2 mm/0.33 μm, N2; Program: 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min)
CapillaryDB-Wax1312.Peng, 199630. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
CapillaryPEG-20M1309.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryDB-Wax1312.Peng, Yang, et al., 1991Program: not specified
CapillaryDB-Wax1316.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 20M1291.Dimov and Mekenyan, 1989Program: not specified

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS170.Aracil, Font, et al., 2005Column length: 60. m; Column diameter: 0.25 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Notes

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